SCHEMBL12469781

SCHEMBL12469781

O=C(O)c1c(NS(=O)(=O)c2ccccc2)sc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.76
METAP2 P50579 5/20 0.52
METAP1 P53582 1/20 0.52
ABCC1 P33527 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
G6PD P11413 1/20 0.44
KMT2A Q03164 2/20 0.44
CNR2 P34972 1/20 0.43
PRSS12 P56730 1/20 0.43
IL1RN P18510 1/20 0.42
KEAP1 Q14145 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
RECQL P46063 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15199357 0.89 ACLY (0.62) ACLYMETAP2METAP1ABCC1ABCG2
SCHEMBL21999597 0.87 ACLY (1.00) ACLYABCC1ABCG2PRSS12
SCHEMBL12469951 0.82 CNR2 (0.63) ACLYALDH1A1LMNAGAACRHBP
SCHEMBL1107209 0.79 ACLY (0.56) ACLYALDH1A1GAAG6PDKMT2A
SCHEMBL1097840 0.79 ACLY (0.50) ACLYALDH1A1G6PDKMT2AIL1RN
SCHEMBL1099843 0.79 ACLY (0.54) ACLYLMNAKMT2A
SCHEMBL1098803 0.77 ACLY (0.52) ACLYALDH1A1KMT2A
SCHEMBL1098725 0.76 ACLY (0.51) ACLYALDH1A1LMNAGAACRHBP
SCHEMBL1100199 0.76 ACLY (0.51) ACLY
SCHEMBL1099596 0.74 ACLY (0.49) ACLYALDH1A1LMNAGAACRHBP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221787-B2 Sulphonamine compounds and methods of making and using same ZAFGEN, INC. (US) 2015-12-29 US claimed
US-20130217759-A1 Sulphonamine Compounds and Methods of Making and Using Same ZAFGEN INC. (US) 2013-08-22 US claimed
EP-2627632-A1 SULPHONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-08-21 EP claimed
WO-2012051318-A1 SULPHONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-04-19 WO claimed
US-9221787-B2 Sulphonamine compounds and methods of making and using same ZAFGEN, INC. (US) 2015-12-29 US disclosed
US-9221787-B2 Sulphonamine compounds and methods of making and using same ZAFGEN, INC. (US) 2015-12-29 US disclosed
US-9221787-B2 Sulphonamine compounds and methods of making and using same ZAFGEN, INC. (US) 2015-12-29 US disclosed
US-20130217759-A1 Sulphonamine Compounds and Methods of Making and Using Same ZAFGEN INC. (US) 2013-08-22 US disclosed
US-20130217759-A1 Sulphonamine Compounds and Methods of Making and Using Same ZAFGEN INC. (US) 2013-08-22 US disclosed
US-20130217759-A1 Sulphonamine Compounds and Methods of Making and Using Same ZAFGEN INC. (US) 2013-08-22 US disclosed
EP-2627632-A1 SULPHONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-08-21 EP disclosed
WO-2012051318-A1 SULPHONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-04-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130217759-A1 Sulphonamine Compounds and Methods of Making and Using Same DNPEP, METAP2, ANPEP ACLY 1062/4885METAP2 2/4885METAP1 15/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.